| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 20 | Yes |
Popular Name: (2S,3aS,7aS)-N-(4-cyanophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aS,7aS)-N-(4-cyanophenyl)-2…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.44 | 6.52 | -50.68 | 3 | 4 | 1 | 69 | 270.356 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 5.36 | -13.72 | 2 | 4 | 0 | 65 | 269.348 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
